17337909
  -OEChem-04252410202D

 38 39  0     0  0  0  0  0  0999 V2000
    6.2633   -0.9765    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5366   -2.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.3366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113    2.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4863    0.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1353   -3.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    0.6113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.6113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9543   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -0.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543   -0.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9543   -1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665   -2.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942   -0.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5421   -2.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3203    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244   -3.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1293    2.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1189   -3.3365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203    3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8203    3.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8649   -2.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021   -3.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681   -3.1010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9173    0.9213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5671   -3.7129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2953   -4.0370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7190    2.5075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1837   -3.9531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7355   -3.2717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0541   -2.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1847    4.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4559    4.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.4379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 18  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 17  1  0  0  0  0
  4 22  1  0  0  0  0
  5 14  2  0  0  0  0
  6 15  2  0  0  0  0
  7 16  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
17337909

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
471

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAAAAAAB4AAAHgQQAAAADASh2AIyjYLABEiMAqnS2AKDCIBlKBkIiBHGTMgOJjrktb+HGajmxBH46caYNwoOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
O2-ethyl O4-methyl 5-(furan-2-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
5-[[2-furanyl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-<I>O</I>-ethyl 4-<I>O</I>-methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate

> <PUBCHEM_IUPAC_NAME>
2-O-ethyl 4-O-methyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
O2-ethyl O4-methyl 5-(furan-2-ylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(2-furoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H15NO6S/c1-4-21-15(19)11-8(2)10(14(18)20-3)13(23-11)16-12(17)9-6-5-7-22-9/h5-7H,4H2,1-3H3,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
HUPKOLOWJVSYMO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
337.06200837

> <PUBCHEM_MOLECULAR_FORMULA>
C15H15NO6S

> <PUBCHEM_MOLECULAR_WEIGHT>
337.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)C(=O)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)C(=O)OC)C

> <PUBCHEM_CACTVS_TPSA>
123

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.06200837

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  11  8
1  12  8
10  11  8
17  19  8
19  21  8
21  22  8
4  17  8
4  22  8
9  10  8
9  12  8

$$$$